SCHEMBL20746485

SCHEMBL20746485

CCCCCCCC(c1ccc(CCCCC)o1)c1ccc(CCCCC)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
ALOX5 P09917 2/20 0.43
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
MAPT P10636 1/20 0.39
S1PR2 O95136 2/20 0.36
S1PR1 P21453 2/20 0.36
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SHBG P04278 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20746513 1.00 EPHX2 (0.47) EPHX2ALOX5PTGS1PTGS2MAPT
SCHEMBL20746447 1.00 EPHX2 (0.47) EPHX2ALOX5PTGS1PTGS2MAPT
SCHEMBL20746538 1.00 EPHX2 (0.47) EPHX2ALOX5PTGS1PTGS2MAPT
SCHEMBL20746521 1.00 EPHX2 (0.47) EPHX2ALOX5PTGS1PTGS2MAPT
SCHEMBL20746460 0.98 ALOX5 (0.44) EPHX2ALOX5PTGS1PTGS2MAPT
SCHEMBL20746437 0.96 ALOX5 (0.47) EPHX2ALOX5PTGS1PTGS2MAPT
SCHEMBL20746432 0.93 ALOX5 (0.40) EPHX2ALOX5PTGS1PTGS2MAPT
SCHEMBL20746475 0.87 CSNK1E (0.35) EPHX2ALOX5MAPTS1PR2S1PR1
SCHEMBL20766699 0.84 CYP2E1 (0.37) EPHX2ALOX5S1PR2S1PR1HTR2A
SCHEMBL20766589 0.84 CYP2E1 (0.37) EPHX2ALOX5S1PR2S1PR1HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668957-A1 FURAN BASED COMPOSITIONS AND METHODS OF MAKING THEREOF University of Delaware (US) 2020-06-24 EP claimed
WO-2019036663-A1 FURAN BASED COMPOSITIONS AND METHODS OF MAKING THEREOF UNIVERSITY OF DELAWARE (US) 2019-02-21 WO claimed
US-20210040055-A1 FURAN BASED COMPOSITIONS AND METHODS OF MAKING THEREOF UNIVERSITY OF DELAWARE (US) 2021-02-11 US disclosed
EP-3668957-A1 FURAN BASED COMPOSITIONS AND METHODS OF MAKING THEREOF University of Delaware (US) 2020-06-24 EP disclosed
WO-2019036663-A1 FURAN BASED COMPOSITIONS AND METHODS OF MAKING THEREOF UNIVERSITY OF DELAWARE (US) 2019-02-21 WO disclosed
WO-2019036663-A1 FURAN BASED COMPOSITIONS AND METHODS OF MAKING THEREOF UNIVERSITY OF DELAWARE (US) 2019-02-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210040055-A1 FURAN BASED COMPOSITIONS AND METHODS OF MAKING THEREOF CBR3, CBR1, FPR3 EPHX2 841/4885ALOX5 22/4885PTGS1 1002/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.